3-methoxy-4-(5-phenylpentoxy)aniline

C18H23NO2 — CID 27230

IUPAC3-methoxy-4-(5-phenylpentoxy)aniline
SMILESCOc1cc(N)ccc1OCCCCCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-20-18-14-16(19)11-12-17(18)21-13-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,11-12,14H,3,6-7,10,13,19H2,1H3
InChIKeyMABQUKJZNJASAP-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.07
Rot. Bonds8

About 3-methoxy-4-(5-phenylpentoxy)aniline

3-methoxy-4-(5-phenylpentoxy)aniline (PubChem CID 27230) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-methoxy-4-(5-phenylpentoxy)aniline.

Molecular Properties

Compound Name3-methoxy-4-(5-phenylpentoxy)aniline
PubChem CID27230
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-methoxy-4-(5-phenylpentoxy)aniline
SMILESCOc1cc(N)ccc1OCCCCCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-20-18-14-16(19)11-12-17(18)21-13-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,11-12,14H,3,6-7,10,13,19H2,1H3
InChIKeyMABQUKJZNJASAP-UHFFFAOYSA-N
XLogP4.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(5-phenylpentoxy)aniline?
The IUPAC name of 3-methoxy-4-(5-phenylpentoxy)aniline (CID 27230) is 3-methoxy-4-(5-phenylpentoxy)aniline.
What is the SMILES notation for 3-methoxy-4-(5-phenylpentoxy)aniline?
The canonical SMILES for 3-methoxy-4-(5-phenylpentoxy)aniline is COc1cc(N)ccc1OCCCCCc1ccccc1.
What is the InChIKey of 3-methoxy-4-(5-phenylpentoxy)aniline?
The InChIKey is MABQUKJZNJASAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-20-18-14-16(19)11-12-17(18)21-13-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,11-12,14H,3,6-7,10,13,19H2,1H3.
What are the key properties of 3-methoxy-4-(5-phenylpentoxy)aniline?
3-methoxy-4-(5-phenylpentoxy)aniline has a molecular weight of 285.39 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(5-phenylpentoxy)aniline is sourced from PubChem (CID 27230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).